Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1713562 | 0.90 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL27745694 | 0.82 | L3MBTL1 (0.51) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL967387 | 0.76 | HDAC2 (0.68) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL3115429 | 0.75 | L3MBTL1 (0.55) | CYP1A2CYP2C19L3MBTL1KMT2ATSHR | |
| SCHEMBL7977094 | 0.74 | MAPK1 (0.49) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL563400 | 0.73 | TSHR (0.51) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL24096105 | 0.72 | EPHX2 (0.60) | L3MBTL1KMT2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7265681 | 0.72 | L3MBTL1 (0.51) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL7977092 | 0.71 | MAPK1 (0.49) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 | |
| SCHEMBL562969 | 0.71 | LMNA (0.46) | CYP1A2CYP2C19CYP2D6CYP2C9L3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101479273-B | Purinone derivatives as hm74a agonists | INCYTE CORP. (US) | 2011-11-30 | — | — | CN | disclosed |
| CN-101479273-A | Purinone derivatives as HM74A agonists | INCYTE CORP (US) | 2009-07-08 | — | — | CN | disclosed |